Publisher’s Note: Suppressed Dependence of Polarization on Epitaxial Strain in Highly Polar Ferroelectrics [Phys. Rev. Lett.<b>98</b>, 217602 (2007)]

Lee, Ho Nyung; Nakhmanson, Serge; Chisholm, Matthew F.; Christen, Hans M.; Rabe, Karin M.; Vanderbilt, David

doi:10.1103/physrevlett.98.229901

Cited by 79 publications

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“…[17,18] As summarized in Table 1 of Supporting Information, the PLD growth conditions used in published reports on the LAO/STO interface formation were not uniform, suggesting that the differences in the growth parameters might contribute to inconsistent observations and/or interpretations of interface conductivity. Most importantly, compared to conventional PLD growth conditions for typical perovskite oxides, [19,20] many LAO/STO heterostructures were grown at unusually low P(O 2 ) and rather high temperatures. …”

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“…Note that this thickness exceeds the theoretical value, as has also been observed in other oxide films. [19] It should be noted that the oxygen vacancies generated in the STO substrate might also result in lattice expansion. However, since the oxygen vacancy compensated (Figure 1b Bragg Rod Analysis (COBRA) [13,25] was used to extract the one-dimensional electron density profiles, and the bootstrap method was used to determine the error bars.…”

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Atomic Layer Engineering of Perovskite Oxides for Chemically Sharp Heterointerfaces

et al. 2012

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Keywords: perovskite oxide interface, pulsed laser deposition, LaAlO 3 /SrTiO 3 , atomic layer engineering, epitaxial strain 2 The two-dimensional (2D) conducting interface between LaAlO 3 (LAO) and SrTiO 3 (STO) -both perovskite oxide band insulators -has attracted immense attention since its discovery by Ohtomo and Hwang. [1] Several unexpected physical properties have been experimentally observed, [2,3] which stimulated numerous theoretical investigations. [4][5][6] However, despite intense research, the exact origin of such remarkable behavior remains to be understood. While the polar catastrophe model at the interface between a polar (LAO) and a non-polar (STO) oxide provides an appealing explanation for the characteristics of this system, [7] the role of extrinsic factors such as oxygen vacancies and/or cation intermixing in producing similar behavior cannot be ruled out. [8][9][10][11][12][13][14][15] Pulsed laser deposition (PLD) is the most frequently used method for fabricating LAO/STO heterostructures. It is generally understood that, among the various growth parameters, the background gas pressure and the substrate temperature have the greatest influence on the film quality. Under optimal conditions -i.e., when the oxygen partial pressure P(O 2 ) is used to tune the kinetic energy of growth species in the laser-induced plume -single crystal thin films with atomically smooth surfaces can be grown. [16] However, at less than optimal growth conditions, the highly energetic plume-substrate interactions can produce undesirable departures from stoichiometry. [17,18] As summarized in Table 1 of Supporting Information, the PLD growth conditions used in published reports on the LAO/STO interface formation were not uniform, suggesting that the differences in the growth parameters might contribute to inconsistent observations and/or interpretations of interface conductivity. Most importantly, compared to conventional PLD growth conditions for typical perovskite oxides, [19,20] many LAO/STO heterostructures were grown at unusually low P(O 2 ) and rather high temperatures. 3The selective use of low P(O 2 ) in the early stage of LAO/STO growth raises an intriguing question: what if instead very high P(O 2 ) was used to grow the LAO film? It was shown that LAO/STO growth at low P(O 2 ) easily generates a high concentration of oxygen vacancies, [8][9][10][11] and post-annealing in a high-pressure oxygen ambient was found to reduce their number. [3,8,9] Interestingly, some previous work reported good metallic conduction even after post-annealing, suggesting that the contribution of oxygen vacancies to the electronic conduction is negligible. [1,7,21] It should be further noted that the energetic process of PLD -i.e., species are transported from the target to the substrate with a high kinetic energy -may substantially influence the formation of cation off-stoichiomety, resulting in a chemically broadened interface. [12][13][14][15] Here again, the P(O 2 ) should have a strong influence on interface formation, but onl...

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Atomic Layer Engineering of Perovskite Oxides for Chemically Sharp Heterointerfaces

et al. 2012

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“…It is remarkable that a single family of PbTiO 3 based perovskite materials, such as lead zirconate titanate PbZr 1−x Ti x O 3 (PZT) [1][2][3][4] and a variety of lead-based relaxor ferroelectrics, 1,5,6 is dominating the field of ferroelectric (FE) and piezoelectric applications. Outstanding polar, piezoelectric and dielectric properties of all of these compounds emanate from strong lattice distortions -specifically, large displacements of both Pb 2+ and Ti 4+ ions away from their centrosymmetric positions in the undistorted perovskite structure.…”

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First-principles studies of lone-pair-induced distortions in epitaxial phases of perovskiteSnTiO3andPbTiO3

et al. 2015

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In this project, a computational investigation utilizing density functional theory methods is carried out to elucidate the differences in stereochemical lone-pair activity of Pb 2+ and Sn 2+ A-site ions in epitaxial polar ATiO3 perovskites. The contrasting tendencies for the lead-and tin-based compounds to form different phases -Amm2 for the former vs Cm for the latter -under biaxial tension are connected to the amount of charge concentrated within the lone pair lobes. Specifically, phases are energetically more preferable when as much charge as possible is dissipated out of the lobe, thus lowering the cost of Coulomb repulsions between the lone pair and the surrounding oxygen cage. Although a strong band gap tuning was predicted in (fictitious) SnTiO3 during the tensile P 4mm → Cm phase transformation [see Phys. Rev. B 84, 245126 (2011)], we find the same effect to be considerably weaker in PbTiO3. The insights gained about the electronic-level underpinnings of transitional behavior in such lone-pair active epitaxial ferroelectrics may be used in the design of a new generation of more efficient electromechanical and electrooptical devices.

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“…PbZr 0.2 Ti 0.8 O 3 (PZT) has been chosen as the FE layer owing to its large remnant polarization (typically, our highly polar PZT film has a remnant polarization, P r = ~80 μC/cm 2 , without thickness dependent variations.). 22 It is also worth noting that a large polarization is indispensable to strengthening the coupling across the heterointerface without the dielectric breakdown typically found in non-FE-containing field effect devices. 23 Schematics of heterostructures and corresponding energy band diagrams are shown in Figure 1a to illustrate the main ideas.…”

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Tunneling Electroresistance Induced by Interfacial Phase Transitions in Ultrathin Oxide Heterostructures

et al. 2013

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The ferroelectric (FE) control of electronic transport is one of the emerging technologies in oxide heterostructures. Many previous studies in FE tunnel junctions (FTJs) exploited solely the differences in the electrostatic potential across the FTJs that are induced by changes in the FE polarization direction. Here, we show that in practice the junction current ratios between the two polarization states can be further enhanced by the electrostatic modification in the correlated electron oxide electrodes, and that FTJs with nanometer thin layers can effectively produce a considerably large electroresistance ratio at room temperature. To understand these surprising results, we employed an additional control parameter, which is related to the crossing of electronic and magnetic phase boundaries of the correlated electron oxide. The FE-induced phase modulation at the heterointerface ultimately results in an enhanced electroresistance effect. Our study highlights that the strong coupling between degrees of freedom across heterointerfaces could yield versatile and novel applications in oxide electronics.

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Publisher’s Note: Suppressed Dependence of Polarization on Epitaxial Strain in Highly Polar Ferroelectrics [Phys. Rev. Lett.98, 217602 (2007)]

Cited by 79 publications

References 0 publications

Atomic Layer Engineering of Perovskite Oxides for Chemically Sharp Heterointerfaces

Atomic Layer Engineering of Perovskite Oxides for Chemically Sharp Heterointerfaces

First-principles studies of lone-pair-induced distortions in epitaxial phases of perovskiteSnTiO3andPbTiO3

Tunneling Electroresistance Induced by Interfacial Phase Transitions in Ultrathin Oxide Heterostructures

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